4-ヒドロキシ-1-ナフトアルデヒド

4-Hydroxy-1-naphthaldehyde

HCID 344290

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7770-45-8
標準SMILES: O=Cc1ccc(O)c2ccccc12
InChIKey: LORPDGZOLAPNHP-UHFFFAOYSA-N
分子式: C11H8O2
平均分子量: 172.18 g/mol
単同位体質量: 172.0524295

名称と識別子

優先名称: 4-Hydroxy-1-naphthaldehyde
IUPAC: 4-hydroxynaphthalene-1-carbaldehyde
現地名: 4-ヒドロキシ-1-ナフトアルデヒド
英語名: 4-Hydroxy-1-naphthaldehyde
分子式: C11H8O2
分子量: 172.18

名称と別名

4-Hydroxy-1-naphthaldehyde4-Hydroxy-naphthaldehydeDTXSID50322380RefChem:99129DTXCID00273499626-164-9LORPDGZOLAPNHP-UHFFFAOYSA-N7770-45-84-hydroxynaphthalene-1-carbaldehydeMFCD000534861-Naphthalenecarboxaldehyde, 4-hydroxy-NSC401124

名称をさらに表示

4-ヒドロキシ-1-ナフトアルデヒド4-HYDROXY-1-NAPHTHALDEHYD4-hydroxy-1-naphthalenecarboxaldehyde

4-formyl-1-naphthol4-hydroxynaphthaldehyde4-hydroxy naphthaldehyde4-Hydroxy-1-phthaldehyde4-hydroxy-1-naphtaldehyde4-hydroxy-1-napthaldehyde4-hydroxy- 1-naphthaldehydeSCHEMBL146732

データベース識別子

CAS: 7770-45-8
PubChem CID: 344290
DTXSID: DTXSID50322380
ChEMBL: CHEMBL4457110
EC Number: 626-164-9
Nikkaji: J1.652.347J

物性

構造計算による物性

XLogP: 2.8
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 191

物理化学的性質

融点: 179 · 179-182 °C (lit.)
沸点: 364.9 · 364.9±15.0 °C(Predicted)
比重(密度): 1.288 · 1.288±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 6.66 · 6.66±0.40(Predicted)
InChI: 1S/C11H8O2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-7,13H
InChIKey: LORPDGZOLAPNHP-UHFFFAOYSA-N
SMILES: Oc1ccc(C=O)c2ccccc12
CAS データベース: 7770 · 7770-45-8(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Hydroxy-naphthaldehyde(7770-45-8)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用4-Hydroxy-1-naphthaldehyde was used in the preparation of racemic 1- and 2-naphthol analogues of tyrosine, 2-amino-3-(4-hydroxy-1-naphthyl)propanoic acid hydrochloride and 2-amino-3-(6-hydroxy-2-naphthyl)propanoic acid hydrobromide.